CID 209800

20464-90-8

Structural Information

Molecular Formula
C18H22Cl2NO5P
SMILES
COC1=CC=C(C=C1)OP(=O)(N(CCCl)CCCl)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H22Cl2NO5P/c1-23-15-3-7-17(8-4-15)25-27(22,21(13-11-19)14-12-20)26-18-9-5-16(24-2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey
BWLLTHWWMYXMRW-UHFFFAOYSA-N
Compound name
N-bis(4-methoxyphenoxy)phosphoryl-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.06128 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06856 194.2
[M+Na]+ 456.05050 201.0
[M-H]- 432.05400 200.5
[M+NH4]+ 451.09510 206.2
[M+K]+ 472.02444 197.6
[M+H-H2O]+ 416.05854 184.6
[M+HCOO]- 478.05948 213.9
[M+CH3COO]- 492.07513 228.8
[M+Na-2H]- 454.03595 195.2
[M]+ 433.06073 206.7
[M]- 433.06183 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.